Structure of IDP52003

The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder441

Edit deposit information
CSGID target
IDP52003 
PDB Id
7KRX (NCBI MMDB
Authors
Osipiuk, J., Tesar, C., Endres, M., Lisnyak, V., Maki, S., Taylor, C., Zhang, Y., Zhou, Z., Azizi, S.A., Jones, K., Kathayat, R., Snyder, S.A., Dickinson, B.C., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
Jerzy Osipiuk 
Responsible lab
Argonne National Laboratory 
Deposition Date
Nov 20, 2020 
Release Date
 

Annotation

Ligands

Ligand code Name Ligand type
Y41 3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide biological
ZN biological
CL chloride ion crystallization
ACT crystallization
UNX Unknown atom crystallization

Structure information

Unit cell parameters

Space Group
I 41 2 2  
Unit Cell

a=114.33Å, b=114.33Å, c=219.57Å
α=90.00, β=90.00, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
49.85-2.72Å (2.79-2.72Å)  
Rall(%)
21.2 
Rwork(%)
21.0 (40.5) 
Rfree(%)
24.9 (39.7) 
Num. observed reflections
20019 (1435) 
Num. Rfree reflections
1040 (73) 
Completeness(%)
99.8 (97.7) 

Model parameters

Num Atoms
2448  
Num Waters
8  
Num Hetatoms
50  
Model mean isotropic B factor
103.100Å2  
RMSD bond length
0.010Å  
RMSD bond angle
1.881°  
Filename uploaded
D_1000253086_model-annotate_P1.pdb (uploaded on Nov 23, 2020 11:14 AM)  
Inserted
Nov 23, 2020